SCHEMBL9429616

SCHEMBL9429616

Cn1c(N2CCN(CCCCOc3ccc(C#N)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
HRH1 P35367 12/20 0.51
HRH2 P25021 9/20 0.51
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.44
KCNA5 P22460 1/20 0.44
IKBKB O14920 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9428870 0.97 HRH3 (0.57) HRH3HRH1HRH2ALDH1A1MEN1
SCHEMBL9429336 0.86 HRH3 (0.55) HRH3MEN1KMT2ADRD2
SCHEMBL9430053 0.86 ALDH1A1 (0.48) HRH3HRH1ALDH1A1MEN1KMT2A
SCHEMBL9428883 0.86 HRH1 (0.50) HRH3HRH1HRH2ALDH1A1MEN1
SCHEMBL9428808 0.85 KCNJ1 (0.51) HRH1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9429865 0.85 HRH3 (0.54) HRH3MEN1KMT2ADRD2
SCHEMBL9428835 0.83 DRD2 (0.54) HRH3HRH1HRH2ALDH1A1MEN1
SCHEMBL9429182 0.83 HRH3 (0.64) HRH3HRH1HRH2
SCHEMBL9429324 0.82 DRD2 (0.56) HRH3HRH1HRH2DRD2
SCHEMBL9428373 0.82 DRD2 (0.58) HRH3HRH1HRH2ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed